Structure of PDB 8ji5 Chain B Binding Site BS02

Receptor Information
>8ji5 Chain B (length=229) Species: 2712845 (Aetokthonos hydrillicola Thurmond2011) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMKAILQLILEKRQEFEKLPCFEFVRDETISPEERLILYPCIAAFALNFR
DLNRYDYRDDNSSDYYQKIINIHTQEDAKHWEWFLNDLELLGFDKTMRFS
EALRFVWSDDLLHTRRLCHNIAVLSHDLEPVMKMVVIEAMETAGLVIFHA
LAKPGESIAKATRRKYLYVADSHVEVETGHALEQTQLSSEQEEKAKEIVN
KVFQWSTNLIGEFERYVKAHRSEKAQPTA
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain8ji5 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8ji5 The structural and functional investigation into an unusual nitrile synthase.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		H72 D76 E140 E176 H179
Binding residue
(residue number reindexed from 1)		H73 D77 E141 E177 H180
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8ji5, PDBe:8ji5, PDBj:8ji5
PDBsum8ji5
PubMed37973794
UniProtA0A861B387

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